N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2,3-dimethyl-quinoxaline-6-carboxamide

Systemtic Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2,3-dimethyl-quinoxaline-6-carboxamide Openeye Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2,3-dimethyl-quinoxaline-6-carboxamide CAS Name: N-[2-[(4-bromophenyl)methyl]-3-pyrazolyl]-2,3-dimethyl-6-quinoxalinecarboxamide IUPAC Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2,3-dimethylquinoxaline-6-carboxamide Traditional Name: N-[2-(4-bromobenzyl)pyrazol-3-yl]-2,3-dimethyl-quinoxaline-6-carboxamide Formula: C21H18BrN5O MolecularWeight: 436.30452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)NC3=CC=NN3CC4=CC=C(C=C4)Br)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)NC3=CC=NN3CC4=CC=C(C=C4)Br)N=C1C

InChI

InChI=1S/C21H18BrN5O/c1-13-14(2)25-19-11-16(5-8-18(19)24-13)21(28)26-20-9-10-23-27(20)12-15-3-6-17(22)7-4-15/h3-11H,12H2,1-2H3,(H,26,28)